Ligand ID: 5D5


Drugbank ID:
DB08834
(Tauroursodeoxycholic acid)


Indication:
Used in the treatment of cholesterol gallstones. Tauroursodeoxycholic acid is also being investigated for use in several conditions such as Primary Biliary Cirrhosis (PBC), insulin resistance, amyloidosis, Cystic Fibrosis, Cholestasis, and Amyotrophic Lateral Sclerosis.

Get human targets for 5D5 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '5D5' AND SARS-COV-2 / COVID-19 STRUCTURES

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		5r83 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
THR A 175
LEU A 177
ILE A 152
TRP A  31
VAL A  20
1.74A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
THR A 175
LEU A 177
ILE A 152
TRP A  31
VAL A  20
1.75A11.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
THR A 175
LEU A 177
ILE A 152
TRP A  31
VAL A  20
1.77A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_1
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
SER B 884
TYR B 789
PHE B 888
TYR A1047
1.57A19.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
ASP B 324
THR B 196
LEU B 298
HIS B 235
PHE B 330
1.40A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_1
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
SER A 884
TYR A 789
PHE A 888
TYR C1047
1.64A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_1
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
SER B 884
TYR B 789
PHE B 888
TYR A1047
1.63A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6w4b NSP9
(SARS-CoV-2)		5 / 12
LEU B  95
THR B 110
LEU B 107
PHE B  91
VAL B  42
1.48A8.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
THR A 175
LEU A 177
ILE A 152
TRP A  31
VAL A  20
1.78A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6w6y NSP3
(SARS-CoV-2)		5 / 12
HIS A  94
PRO A 125
ILE A  23
PHE A 116
ARG A 148
1.65A
None
None
AMP  A 201 ( 4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_1
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TYR B 154
PHE B  79
HIS B  73
TYR B  56
1.63A18.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6wey NSP3
(SARS-CoV-2)		5 / 12
HIS A 298
PRO A 329
ILE A 227
PHE A 320
ARG A 352
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
ASP A 324
THR A 196
LEU A 298
HIS A 235
PHE A 330
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_1
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
TYR A 154
PHE A  79
HIS A  73
TYR A  56
1.58A17.84
None
None
PO4  A 504 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_1
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
SER B 144
TYR B 118
LYS A   1
TYR B 161
1.76A16.44
O6K  B 401 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
THR A 175
LEU A 177
ILE A 152
TRP A  31
VAL A  20
1.76A11.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 368
PHE A 392
ILE A 332
PHE A 338
VAL A 512
1.68A14.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
THR A 175
LEU A 177
ILE A 152
TRP A  31
VAL A  20
1.76A16.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
THR A 175
LEU A 177
ILE A 152
TRP A  31
VAL A  20
1.79A16.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS E  94
PRO E 125
ILE E  23
PHE E 116
ARG E 148
1.66A
None
None
EDO  E 205 (-4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS D  94
PRO D 125
ILE D  23
PHE D 116
ARG D 148
1.61A
None
None
EDO  D 208 (-4.0A)
None
EDO  D 202 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS C  94
PRO C 125
ILE C  23
PHE C 116
ARG C 148
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS A  94
PRO A 125
ILE A  23
PHE A 116
ARG A 148
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS D  94
PRO D 125
ILE D  23
PHE D 116
ARG D 148
1.64A
None
None
APR  D 201 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS C  94
PRO C 125
ILE C  23
PHE C 116
ARG C 148
1.63A
None
None
APR  C 201 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS E  94
PRO E 125
ILE E  23
PHE E 116
ARG E 148
1.64A
None
None
APR  E 201 (-4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS A  94
PRO A 125
ILE A  23
PHE A 116
ARG A 148
1.63A
None
None
APR  A 201 (-3.9A)
None
EDO  A 206 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS C  94
PRO C 125
ILE C  23
PHE C 116
ARG C 148
1.65A
None
None
EDO  C 206 (-4.1A)
None
EDO  C 205 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS A  94
PRO A 125
ILE A  23
PHE A 116
ARG A 148
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
HIS B  94
PRO B 125
ILE B  23
PHE B 116
ARG B 148
1.61A
None
None
EDO  B 202 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
LEU B  98
LEU A 371
PRO A 505
ILE A 539
VAL A 338
1.73A13.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
THR A 710
LEU A 707
ILE A 696
PHE A 745
ARG A 726
1.79A21.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
LEU B  98
LEU A 371
PRO A 505
ILE A 539
VAL A 338
1.53A13.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
LEU B  98
LEU A 371
PRO A 505
ILE A 539
VAL A 338
1.73A13.41
None